SCHEMBL19062718

SCHEMBL19062718

CCOCCC/C=C/C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.60
▸ HCAR2 Q8TDS4 3/20 0.48
▸ ATM Q13315 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ TTR P02766 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FAAH O00519 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22100454 0.88 MAPT (0.85) MAPTALDH1A1HCAR2ATMTSHR
SCHEMBL25616339 0.86 MAPT (0.60) MAPTALDH1A1HCAR2ATMFAAH
SCHEMBL3929826 0.85 MAPT (0.68) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL3929823 0.85 MAPT (0.68) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL1885350 0.84 MAPT (0.72) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL2618106 0.84 MAPT (0.72) MAPTALDH1A1HCAR2ATMTTR
SCHEMBL13966627 0.84 MAPT (0.57) MAPTALDH1A1HCAR2ATMTSHR
SCHEMBL29131601 0.82 MAPT (0.70) MAPTALDH1A1HCAR2ATMTSHR
SCHEMBL872986 0.82 MAPT (0.70) MAPTALDH1A1HCAR2ATMNPSR1
SCHEMBL872985 0.82 MAPT (0.70) MAPTALDH1A1HCAR2ATMNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184526-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2017-06-28 — — EP disclosed
Send feedback